Acetone

Acetone

SCHEMBL1822236

CC(C)=O.COC(C)(C)C

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
LMNA P02545 2/20 0.46
DGAT1 O75907 1/20 0.39
TSHR P16473 6/20 0.35
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
THPO P40225 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
TDP1 Q9NUW8 3/20 0.31
CA1 P00915 1/20 0.31
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Cyclohexane SCHEMBL2480141 0.90 ALDH1A1 (0.50) ALDH1A1LMNADGAT1TSHR
Acetic Acid SCHEMBL2480774 0.89 ALDH1A1 (0.57) ALDH1A1LMNADGAT1TSHRGAA
Hexane SCHEMBL10705929 0.83 ALDH1A1 (0.42) ALDH1A1TSHRTDP1CA1ALOX15
Acetone SCHEMBL11778591 0.81 LMNA (0.43) ALDH1A1LMNADGAT1TSHRGAA
Acetone SCHEMBL4847604 0.81 LMNA (0.43) ALDH1A1LMNADGAT1TSHRGAA
SCHEMBL23292747 0.81 ALDH1A1 (0.47) ALDH1A1DGAT1TSHRTHPOPMP22
Butanone SCHEMBL4247427 0.81 ALDH1A1 (0.59) ALDH1A1LMNADGAT1TSHRGAA
SCHEMBL11766284 0.81 ALDH1A1 (0.47) ALDH1A1DGAT1TSHRGAA
Acetone SCHEMBL18920350 0.81 ALDH1A1 (0.40) ALDH1A1LMNADGAT1TSHRGAA
Methyl Alcohol SCHEMBL1151710 0.79

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 217 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024046279-A1 POLYMORPH OF MAO-B INHIBITOR PRODRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 广州市恒诺康医药科技有限公司 2024-03-07 WO claimed
CN-117623989-A Polymorphic form of MAO-B inhibitor prodrug, and preparation method and application thereof 广州市恒诺康医药科技有限公司 2024-03-01 CN claimed
CN-115397426-B Ebutinib glucolactone co-crystal and preparation method thereof 天津睿创康泰生物技术有限公司 2024-02-09 CN claimed
CN-115385918-A Novel midazolam crystal form and preparation method thereof 成都硕德药业有限公司 2022-11-25 CN claimed
CN-115397426-A Ibutotinib glucolactone eutectic and preparation method thereof 天津睿创康泰生物技术有限公司 2022-11-25 CN claimed
WO-2021212253-A1 IBRUTINIB GLUCONOLACTONE CO-CRYSTAL AND PREPARATION METHOD THEREFOR 天津睿创康泰生物技术有限公司 (CN) 2021-10-28 WO claimed
CN-111148730-A Process for the preparation and purification of misoprostol 奇诺因药物和化学工厂私人有限公司 2020-05-12 CN claimed
US-20100216999-A1 PROCESS FOR PREPARATION OF PURE POLYMORPHIC FORM 1 OF CLOPIDOGREL HYDROGENSULFATE KOZLUK TOMASZ 2010-08-26 US claimed
EP-2139902-A1 PROCESS FOR PREPARATION OF PURE POLYMORPHIC FORM 1 OF CLOPIDOGREL HYDROGENSULFATE Kozluk, Tomasz (PL) 2010-01-06 EP claimed
WO-2008118030-A1 PROCESS FOR PREPARATION OF PURE POLYMORPHIC FORM 1 OF CLOPIDOGREL HYDROGENSULFATE KOZLUK TOMASZ (PL) 2008-10-02 WO claimed
US-6700014-B2 Process for extracting oleanolic acid from plant material E. & J. GALLO WINERY 2004-03-02 US claimed
US-20030114708-A1 Process for extracting oleanolic acid from plant material E. & J. GALLO WINERY 2003-06-19 US claimed
EP-4400498-A1 AMORPHOUS SUBSTANCES, CRYSTALS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES OF THIOHYDANTOIN COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Suzhou Kintor Pharmaceuticals, Inc. (CN) 2024-07-17 EP disclosed
CN-118290482-A Compositions and dosage forms for the treatment of HPV infection and HPV-induced neoplasia 安蒂瓦生物科学公司 2024-07-05 CN disclosed
US-12023409-B2 Phosphodiesterase-4 inhibitor combinations, methods of making, and methods of use thereof VK RESEARCH ASSOCIATES INC. (US) 2024-07-02 US disclosed
CN-118221739-A Compositions and dosage forms for the treatment of HPV infection and HPV-induced neoplasia 安蒂瓦生物科学公司 2024-06-21 CN disclosed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008698-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
EP-0343643-A2 Arylmethylenyl derivatives of thiazolidnones, imidazolidinones and oxazolidinones useful as antiallergy agents and antiinflamatory agents WARNER-LAMBERT COMPANY (US) 1989-11-29 EP disclosed